N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide

C23H25N3O4S — CID 42340437

IUPACN-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
SMILESCc1ccc(-c2ccc(C(=O)N3CCc4c(cnc(C)c4CNS(C)(=O)=O)C3)cc2)o1
InChIInChI=1S/C23H25N3O4S/c1-15-4-9-22(30-15)17-5-7-18(8-6-17)23(27)26-11-10-20-19(14-26)12-24-16(2)21(20)13-25-31(3,28)29/h4-9,12,25H,10-11,13-14H2,1-3H3
InChIKeyJDIHUGAUXDLOEI-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.21
Rot. Bonds5

About N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide

N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide (PubChem CID 42340437) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
PubChem CID42340437
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
SMILESCc1ccc(-c2ccc(C(=O)N3CCc4c(cnc(C)c4CNS(C)(=O)=O)C3)cc2)o1
InChIInChI=1S/C23H25N3O4S/c1-15-4-9-22(30-15)17-5-7-18(8-6-17)23(27)26-11-10-20-19(14-26)12-24-16(2)21(20)13-25-31(3,28)29/h4-9,12,25H,10-11,13-14H2,1-3H3
InChIKeyJDIHUGAUXDLOEI-UHFFFAOYSA-N
XLogP3.21
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[7-(4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]ethanesulfonamide
CID 42340499
N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 56853616
N-[[7-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 42399137
N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
CID 42321195
N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide
CID 25295566
N-[[7-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 26282114
N-[[7-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzenesulfonamide
CID 42212379
N-[[3-methyl-7-(2,3,6-trifluorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
CID 42340710
N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
CID 26346320
N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 42167370
N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 42379499
(E)-N-[[7-(4-acetylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 42378243

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide (CID 42340437) is N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide is Cc1ccc(-c2ccc(C(=O)N3CCc4c(cnc(C)c4CNS(C)(=O)=O)C3)cc2)o1.
What is the InChIKey of N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
The InChIKey is JDIHUGAUXDLOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-15-4-9-22(30-15)17-5-7-18(8-6-17)23(27)26-11-10-20-19(14-26)12-24-16(2)21(20)13-25-31(3,28)29/h4-9,12,25H,10-11,13-14H2,1-3H3.
What are the key properties of N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide has a molecular weight of 439.54 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 42340437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).